3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole - CAS 1185320-36-8

Name: 3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004138
Product Name:	3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
CAS:	1185320-36-8
Synonyms:	3-bromo-5-(trifluoromethyl)-1H-1,2,4-triazole

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	3-bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
Description:	3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole (CAS# 1185320-36-8) is a useful research chemical.
Molecular Weight:	215.96
Molecular Formula:	C3HBrF3N3
Canonical SMILES:	C1(=NC(=NN1)Br)C(F)(F)F
InChI:	InChI=1S/C3HBrF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10)
InChI Key:	ZHLNRDIDHQSRLT-UHFFFAOYSA-N
Purity:	95 %
LogP:	1.58600

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cis-3-Fluorooxan-4-amine hydrochloride

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020132269-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
TW-202039501-A	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
CN-113164485-A	Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1)	20181220
EP-3897652-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.93059
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.93059
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9